Glycoside
GD001333
Name:
NoneFormula:
C13H13O3N5Br2Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C=CC=C(Br)Br)[C@H](O)[C@H]1OAglycone:
C=CC=C(Br)Br.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 447.09 | Num_heavy_atoms: | 23 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01362
Formula: C4H4Br2
Smiles:
C=CC=C(Br)Br| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.88 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
